JWE-035 - Small Molecule (ID:10092-101)

HMS LINCS ID: 10092-101
Name: JWE-035
Alternative Names:
LINCS ID: LSM-1092
PubChem CID: 57340671
ChEBI ID:
ChEMBL ID:
Molecular Mass: 525.25
InChi: InChI=1S/C27H30F3N7O/c1-4-36-11-13-37(14-12-36)17-18-9-10-19(15-21(18)27(28,29)30)32-26-31-16-23-24(33-26)34(2)22-8-6-5-7-20(22)25(38)35(23)3/h5-10,15-16H,4,11-14,17H2,1-3H3,(H,31,32,33)
InChi Key: PXGLIUGVLBRUBV-UHFFFAOYSA-N
SMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)C(F)(F)F
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, AURKA, JAK2, MAPK7, PIK3CD, PIK3CG, PLK4, TAOK2, TAOK3, ULK1, ULK2
10
(confirmed non-binding)
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Batch Information for HMSL10092-101-1:

HMS LINCS Batch ID: 10092-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID:
Salt: 101
Molecular Formula: C27H30F3N7O
Molecular Weight: 525.57
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-12-02

HMS QC Testing Events for HMSL10092-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10092-101-1_LCMS.pdf
06/06/2011 PASS None